Compile Data Set for Download or QSAR

Found 594 hits with Last Name = 'kudolo' and Initial = 'm'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50253154 (CHEMBL492265 | N-Cyclopropyl-4-methyl-3-(1-(2-meth...) Show SMILES Cc1ccccc1-c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C26H23N3O/c1-16-5-3-4-6-22(16)25-23-12-9-18(13-20(23)15-27-29-25)24-14-19(8-7-17(24)2)26(30)28-21-10-11-21/h3-9,12-15,21H,10-11H2,1-2H3,(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624 BindingDB Entry DOI: 10.7270/Q2J38WW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50583520 (CHEMBL5094006) Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3NC(=O)C=C)N3CCN(C)CC3)nc-21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length N-terminal GST-fused MPS1 (1 to 857 residues) using histone H3 as substrate by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01165 BindingDB Entry DOI: 10.7270/Q2T157JC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50313107 (4-chloro-N-cyclopropyl-3-(1-(2,6-difluorophenyl)-1...) Show SMILES Fc1cccc(F)c1-n1ncc2c(Nc3cc(ccc3Cl)C(=O)NC3CC3)nncc12 |(-6.01,-8.16,;-5.23,-9.48,;-5.98,-10.82,;-5.21,-12.15,;-3.66,-12.13,;-2.9,-10.79,;-1.37,-10.77,;-3.69,-9.47,;-2.93,-8.14,;-3.84,-6.9,;-2.95,-5.64,;-1.48,-6.1,;-.16,-5.33,;-.1,-3.79,;1.27,-3.07,;2.56,-3.9,;3.92,-3.18,;3.98,-1.64,;2.68,-.83,;1.32,-1.54,;.02,-.73,;5.22,-4.01,;5.16,-5.55,;6.59,-3.29,;7.89,-4.12,;8.6,-5.48,;9.43,-4.18,;1.18,-6.08,;1.19,-7.63,;-.14,-8.4,;-1.47,-7.64,)| Show InChI InChI=1S/C21H15ClF2N6O/c22-14-7-4-11(21(31)27-12-5-6-12)8-17(14)28-20-13-9-26-30(18(13)10-25-29-20)19-15(23)2-1-3-16(19)24/h1-4,7-10,12H,5-6H2,(H,27,31)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624 BindingDB Entry DOI: 10.7270/Q2J38WW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50314780 (CHEMBL1091199 | N-Cyclopropyl-3-(1-(2,4-difluoroph...) Show SMILES Cc1ccc(cc1-c1cc2cnn(-c3ccc(F)cc3F)c2n(C)c1=O)C(=O)NC1CC1 Show InChI InChI=1S/C24H20F2N4O2/c1-13-3-4-14(22(31)28-17-6-7-17)9-18(13)19-10-15-12-27-30(23(15)29(2)24(19)32)21-8-5-16(25)11-20(21)26/h3-5,8-12,17H,6-7H2,1-2H3,(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624 BindingDB Entry DOI: 10.7270/Q2J38WW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50418613 (CHEMBL1232887) Show SMILES Cc1ccc(cc1-c1ccc(cn1)C(=O)NCC1CC1)C(=O)NC1CC1 Show InChI InChI=1S/C21H23N3O2/c1-13-2-5-15(21(26)24-17-7-8-17)10-18(13)19-9-6-16(12-22-19)20(25)23-11-14-3-4-14/h2,5-6,9-10,12,14,17H,3-4,7-8,11H2,1H3,(H,23,25)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624 BindingDB Entry DOI: 10.7270/Q2J38WW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50265033 (CHEMBL522579 | N-cyclopropyl-2',6-dimethyl-4'-(5-m...) Show SMILES Cc1nnc(o1)-c1ccc(c(C)c1)-c1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C21H21N3O2/c1-12-4-5-15(20(25)22-17-7-8-17)11-19(12)18-9-6-16(10-13(18)2)21-24-23-14(3)26-21/h4-6,9-11,17H,7-8H2,1-3H3,(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624 BindingDB Entry DOI: 10.7270/Q2J38WW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50263093 (6-Methyl-biphenyl-3,4'-dicarboxylic acid 3-cyclopr...) Show SMILES Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1 Show InChI InChI=1S/C22H24N2O2/c1-14-2-5-18(22(26)24-19-10-11-19)12-20(14)16-6-8-17(9-7-16)21(25)23-13-15-3-4-15/h2,5-9,12,15,19H,3-4,10-11,13H2,1H3,(H,23,25)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624 BindingDB Entry DOI: 10.7270/Q2J38WW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM50583520 (CHEMBL5094006) Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3NC(=O)C=C)N3CCN(C)CC3)nc-21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	14.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Covalent inhibition of human full length N-terminal GST-fused MPS1 (1 to 857 residues) assessed as inhibition constant by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01165 BindingDB Entry DOI: 10.7270/Q2T157JC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM25980 (BMCL18324 Compound 3 | CHEMBL270164 | N-(3-cyanoph...) Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)Nc1cccc(c1)C#N Show InChI InChI=1S/C24H18N4O2/c1-15-6-7-20(24-28-27-16(2)30-24)13-22(15)18-8-10-19(11-9-18)23(29)26-21-5-3-4-17(12-21)14-25/h3-13H,1-2H3,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624 BindingDB Entry DOI: 10.7270/Q2J38WW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM25981 (BMCL18324 Compound 17 | CHEMBL273158 | D3RKN_78 | ...) Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1 Show InChI InChI=1S/C21H21N3O2/c1-13-3-6-18(21-24-23-14(2)26-21)11-19(13)16-7-9-17(10-8-16)20(25)22-12-15-4-5-15/h3,6-11,15H,4-5,12H2,1-2H3,(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624 BindingDB Entry DOI: 10.7270/Q2J38WW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM245474 (US9428503, 1) Show SMILES CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1 Show InChI InChI=1S/C26H31N5O3/c1-29(2)11-4-12-34-24-8-6-19(16-28-24)18-5-7-22-21(15-18)25-23(17-27-22)30(3)26(32)31(25)20-9-13-33-14-10-20/h5-8,15-17,20H,4,9-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604534 (CHEMBL5191923 | US20230348462, Example 50) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN3CC(F)C3)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604528 (CHEMBL5183158 | US20230348462, Example 27) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)cc2F)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604529 (CHEMBL5181829 | US20230348462, Example 28) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)c(F)c2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50253154 (CHEMBL492265 | N-Cyclopropyl-4-methyl-3-(1-(2-meth...) Show SMILES Cc1ccccc1-c1nncc2cc(ccc12)-c1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C26H23N3O/c1-16-5-3-4-6-22(16)25-23-12-9-18(13-20(23)15-27-29-25)24-14-19(8-7-17(24)2)26(30)28-21-10-11-21/h3-9,12-15,21H,10-11H2,1-2H3,(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624 BindingDB Entry DOI: 10.7270/Q2J38WW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50252739 (CHEMBL494072 | N-Cyclopropyl-4-methyl-3-(2-((2-(4-...) Show SMILES Cc1ccc(cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1)C(=O)NC1CC1 Show InChI InChI=1S/C25H29N5O2/c1-17-2-3-19(24(31)28-21-5-6-21)15-22(17)18-4-7-23-20(14-18)16-27-25(29-23)26-8-9-30-10-12-32-13-11-30/h2-4,7,14-16,21H,5-6,8-13H2,1H3,(H,28,31)(H,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624 BindingDB Entry DOI: 10.7270/Q2J38WW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50509054 (CHEMBL1232751) Show SMILES Cc1ccc(cc1-c1cc2cnc(NC3CCOCC3)nc2n(C)c1=O)C(=O)NC1CC1 Show InChI InChI=1S/C24H27N5O3/c1-14-3-4-15(22(30)26-17-5-6-17)11-19(14)20-12-16-13-25-24(27-18-7-9-32-10-8-18)28-21(16)29(2)23(20)31/h3-4,11-13,17-18H,5-10H2,1-2H3,(H,26,30)(H,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624 BindingDB Entry DOI: 10.7270/Q2J38WW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604533 (CHEMBL5170132 | US20230348462, Example 49) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN3CCC3)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604502 (CHEMBL5203201 | US20230348462, Example 7) Show SMILES CN(C)CCNC(=O)Nc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM258444 (US9512130, 2) Show SMILES COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F Show InChI InChI=1S/C27H24F5N5O3/c1-14-11-15(3-6-17(14)26(38)35-16-4-5-16)19-13-34-25-18(33-10-9-27(30,31)32)12-22(36-37(19)25)40-21-8-7-20(39-2)23(28)24(21)29/h3,6-8,11-13,16,33H,4-5,9-10H2,1-2H3,(H,35,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length N-terminal GST-fused MPS1 (1 to 857 residues) using histone H3 as substrate by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01165 BindingDB Entry DOI: 10.7270/Q2T157JC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM532292 (JGS79C | N-(2,6-diethylphenyl)-2-[2-methoxy-4-(4-m...) Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc-21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full length N-terminal GST-fused MPS1 (1 to 857 residues) using histone H3 as substrate by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01165 BindingDB Entry DOI: 10.7270/Q2T157JC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM258444 (US9512130, 2) Show SMILES COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F Show InChI InChI=1S/C27H24F5N5O3/c1-14-11-15(3-6-17(14)26(38)35-16-4-5-16)19-13-34-25-18(33-10-9-27(30,31)32)12-22(36-37(19)25)40-21-8-7-20(39-2)23(28)24(21)29/h3,6-8,11-13,16,33H,4-5,9-10H2,1-2H3,(H,35,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of tracer K9 from NanoLuc-fused MPS1 (unknown origin) expressed in HEK293T cells measured after 2 hrs by NanoBRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01165 BindingDB Entry DOI: 10.7270/Q2T157JC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604505 (CHEMBL5171246 | US20230348462, Example 11) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604506 (CHEMBL5179355 | US20230348462, Example 21) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC3CN(C)C3)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604507 (CHEMBL5204408 | US20230348462, Example 19) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC3CCN(C)C3)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604508 (CHEMBL5204162 | US20230348462, Example 17) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC3CCCN(C)C3)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604535 (CHEMBL5198342 | US20230348462, Example 51) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN3CC(F)(F)C3)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM245474 (US9428503, 1) Show SMILES CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1 Show InChI InChI=1S/C26H31N5O3/c1-29(2)11-4-12-34-24-8-6-19(16-28-24)18-5-7-22-21(15-18)25-23(17-27-22)30(3)26(32)31(25)20-9-13-33-14-10-20/h5-8,15-17,20H,4,9-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604504 (CHEMBL5184135 | US20230348462, Example 10) Show SMILES CN(C)CCNC(=O)Nc1ccc(cc1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604528 (CHEMBL5183158 | US20230348462, Example 27) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)cc2F)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604534 (CHEMBL5191923 | US20230348462, Example 50) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN3CC(F)C3)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50509055 (CHEMBL4575052) Show SMILES OC[C@@H](O)COc1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5ccccc5)c4)ccc3C(=O)c2c1 |r| Show InChI InChI=1S/C31H27FN2O5/c32-28-13-10-23(15-29(28)34-31(38)20-4-2-1-3-5-20)33-22-9-12-26-21(14-22)7-6-19-8-11-25(16-27(19)30(26)37)39-18-24(36)17-35/h1-5,8-16,24,33,35-36H,6-7,17-18H2,(H,34,38)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624 BindingDB Entry DOI: 10.7270/Q2J38WW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604513 (CHEMBL5191914) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)N(C)CCN(C)C)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604533 (CHEMBL5170132 | US20230348462, Example 49) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN3CCC3)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604512 (CHEMBL5207887) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC(C)CN(C)C)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604511 (CHEMBL5199423 | US20230348462, Example 16) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC3CCNCC3)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50494296 (CHEMBL3086685) Show SMILES Fc1ccc(Nc2ccc3c(OCc4ccc(OCCN5CCOCC5)cc4C3=O)c2)cc1NC(=O)c1ccccc1 Show InChI InChI=1S/C33H30FN3O5/c34-29-11-8-24(18-30(29)36-33(39)22-4-2-1-3-5-22)35-25-7-10-27-31(19-25)42-21-23-6-9-26(20-28(23)32(27)38)41-17-14-37-12-15-40-16-13-37/h1-11,18-20,35H,12-17,21H2,(H,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624 BindingDB Entry DOI: 10.7270/Q2J38WW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604510 (CHEMBL5209108 | US20230348462, Example 15) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC3CCN(CC3)C(=O)OC(C)(C)C)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604529 (CHEMBL5181829 | US20230348462, Example 28) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)c(F)c2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50348310 (CHEMBL1800911 | US8772288, 1) Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C23H24N2O2/c1-14-4-5-16(21(26)24-17-7-8-17)12-18(14)15-6-9-19-20(13-15)25-22(27)23(19)10-2-3-11-23/h4-6,9,12-13,17H,2-3,7-8,10-11H2,1H3,(H,24,26)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624 BindingDB Entry DOI: 10.7270/Q2J38WW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604513 (CHEMBL5191914) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)N(C)CCN(C)C)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50313107 (4-chloro-N-cyclopropyl-3-(1-(2,6-difluorophenyl)-1...) Show SMILES Fc1cccc(F)c1-n1ncc2c(Nc3cc(ccc3Cl)C(=O)NC3CC3)nncc12 |(-6.01,-8.16,;-5.23,-9.48,;-5.98,-10.82,;-5.21,-12.15,;-3.66,-12.13,;-2.9,-10.79,;-1.37,-10.77,;-3.69,-9.47,;-2.93,-8.14,;-3.84,-6.9,;-2.95,-5.64,;-1.48,-6.1,;-.16,-5.33,;-.1,-3.79,;1.27,-3.07,;2.56,-3.9,;3.92,-3.18,;3.98,-1.64,;2.68,-.83,;1.32,-1.54,;.02,-.73,;5.22,-4.01,;5.16,-5.55,;6.59,-3.29,;7.89,-4.12,;8.6,-5.48,;9.43,-4.18,;1.18,-6.08,;1.19,-7.63,;-.14,-8.4,;-1.47,-7.64,)| Show InChI InChI=1S/C21H15ClF2N6O/c22-14-7-4-11(21(31)27-12-5-6-12)8-17(14)28-20-13-9-26-30(18(13)10-25-29-20)19-15(23)2-1-3-16(19)24/h1-4,7-10,12H,5-6H2,(H,27,31)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624 BindingDB Entry DOI: 10.7270/Q2J38WW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604505 (CHEMBL5171246 | US20230348462, Example 11) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604521 (CHEMBL5195854 | US20230348462, Example 13) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)N3CCC(CC3)NC(=O)OC(C)(C)C)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50331622 (5-amino-N-(5-(cyclopropylcarbamoyl)-2-methylphenyl...) Show SMILES Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccc1)C(=O)NC1CC1 Show InChI InChI=1S/C21H21N5O2/c1-13-7-8-14(20(27)24-15-9-10-15)11-18(13)25-21(28)17-12-23-26(19(17)22)16-5-3-2-4-6-16/h2-8,11-12,15H,9-10,22H2,1H3,(H,24,27)(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe-University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged P38 alpha MAPK (1 to 360 residues) expressed in Escherichia coli incubated for 60 mins by [gamma-33P]ATP b...				J Med Chem 62: 10757-10782 (2019) Article DOI: 10.1021/acs.jmedchem.9b01227 BindingDB Entry DOI: 10.7270/Q2NV9NJK
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604503 (CHEMBL5201821 | US20230348462, Example 8) Show SMILES CN1CCN(CC1)C(=O)Nc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM20657 (4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-m...) Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)N[C@@H](C)c4ccccc4)c(C)c23)c1 |r| Show InChI InChI=1S/C25H26N6O3/c1-15-10-11-19(24(32)30-34-4)12-21(15)29-23-22-16(2)20(13-31(22)27-14-26-23)25(33)28-17(3)18-8-6-5-7-9-18/h5-14,17H,1-4H3,(H,28,33)(H,30,32)(H,26,27,29)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624 BindingDB Entry DOI: 10.7270/Q2J38WW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50524536 (CHEMBL4452170) Show SMILES Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c(SCc3ccccc3)nc2-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C29H22F2N4OS/c30-23-10-6-19(7-11-23)16-26(36)33-25-17-22(14-15-32-25)28-27(21-8-12-24(31)13-9-21)34-29(35-28)37-18-20-4-2-1-3-5-20/h1-15,17H,16,18H2,(H,34,35)(H,32,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of p38alpha MAPK (unknown origin) using ATF-2 as substrate after 1 hr by ELISA				Eur J Med Chem 175: 309-329 (2019) Article DOI: 10.1016/j.ejmech.2019.04.035 BindingDB Entry DOI: 10.7270/Q29C71T1
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50331625 (5-amino-N-(5-(isoxazol-3-ylcarbamoyl)-2-methylphen...) Show SMILES Cc1ccc(cc1NC(=O)c1cnn(c1N)-c1ccccc1)C(=O)Nc1ccon1 Show InChI InChI=1S/C21H18N6O3/c1-13-7-8-14(20(28)25-18-9-10-30-26-18)11-17(13)24-21(29)16-12-23-27(19(16)22)15-5-3-2-4-6-15/h2-12H,22H2,1H3,(H,24,29)(H,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of P38alpha MAPK (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111624 BindingDB Entry DOI: 10.7270/Q2J38WW2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50503009 (CHEMBL4526183) Show SMILES NC(=O)c1nc(C2CCCCC2)c([nH]1)-c1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C19H23N5O2/c20-17(25)18-23-15(11-4-2-1-3-5-11)16(24-18)13-8-9-21-14(10-13)22-19(26)12-6-7-12/h8-12H,1-7H2,(H2,20,25)(H,23,24)(H,21,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls Universit£t T£bingen Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by ADP-Glo assay				ACS Med Chem Lett 10: 1407-1414 (2019) Article DOI: 10.1021/acsmedchemlett.9b00177 BindingDB Entry DOI: 10.7270/Q2SQ93N5
					More data for this Ligand-Target Pair

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